4,5-dimethyl-2,3-dihydro-1,4-thiazine

C6H11NS — CID 59751939

IUPAC4,5-dimethyl-2,3-dihydro-1,4-thiazine
SMILESCC1=CSCCN1C
InChIInChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h5H,3-4H2,1-2H3
InChIKeyAYSJZPSJBVJSNI-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.53
Rot. Bonds

About 4,5-dimethyl-2,3-dihydro-1,4-thiazine

4,5-dimethyl-2,3-dihydro-1,4-thiazine (PubChem CID 59751939) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1,4-thiazine
PubChem CID59751939
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4,5-dimethyl-2,3-dihydro-1,4-thiazine
SMILESCC1=CSCCN1C
InChIInChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h5H,3-4H2,1-2H3
InChIKeyAYSJZPSJBVJSNI-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-2,3-dihydro-1,4-thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1,4-thiazine?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1,4-thiazine (CID 59751939) is 4,5-dimethyl-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1,4-thiazine?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1,4-thiazine is CC1=CSCCN1C.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1,4-thiazine?
The InChIKey is AYSJZPSJBVJSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1,4-thiazine?
4,5-dimethyl-2,3-dihydro-1,4-thiazine has a molecular weight of 129.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 59751939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).